Detailed information for compound 1295843

Basic information

Technical information
  • TDR Targets ID: 1295843
  • Name: N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpr opanamide
  • MW: 272.342 | Formula: C16H20N2O2
  • H donors: 1 H acceptors: 3 LogP: 2.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)CC)Cc1cc(O)nc2c1cccc2
  • InChi: 1S/C16H20N2O2/c1-3-9-18(16(20)4-2)11-12-10-15(19)17-14-8-6-5-7-13(12)14/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,19)
  • InChiKey: XVWRHFNHWFUXCP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propyl-propanamide
  • N-[(2-keto-1H-quinolin-4-yl)methyl]-N-propyl-propionamide
  • MLS000779063
  • N-(2-Hydroxy-quinolin-4-ylmethyl)-N-propyl-propionamide
  • STOCK4S-53513
  • SMR000415739
  • ZINC02420732

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dna polymerase kappa 0.0023 0.1527 0.5837
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0267 0.1748
Brugia malayi MH1 domain containing protein 0.0005 0.0017 0.0017
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0267 0.1748
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1527 0.1527
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0216 0.1415
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0267 0.1748
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0329 0.1257
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.5625 1
Loa Loa (eye worm) nuclear factor I 0.0005 0.0017 0.0017
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.1527 1
Trypanosoma brucei unspecified product 0.0016 0.0937 0.6136
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.3958 0.3958
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0216 0.1415
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1527 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1527 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0937 0.6136
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1478 0.9683
Schistosoma mansoni ap endonuclease 0.0023 0.1478 0.2628
Schistosoma mansoni ap endonuclease 0.0023 0.1478 0.2628
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0216 0.1415
Loa Loa (eye worm) hypothetical protein 0.0036 0.2587 0.2587
Brugia malayi MH1 domain containing protein 0.0005 0.0017 0.0017
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0333 0.0333
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1527 1
Schistosoma mansoni cpg binding protein 0.0035 0.2454 0.4363
Echinococcus granulosus dna polymerase eta 0.0023 0.1527 0.5837
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0997 0.3811
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1478 0.9683
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0937 0.6136
Schistosoma mansoni smad1 5 8 and 0.0009 0.0333 0.0592
Brugia malayi MH2 domain containing protein 0.0009 0.0333 0.0333
Leishmania major DNA polymerase kappa, putative 0.0007 0.0216 0.1415
Loa Loa (eye worm) hypothetical protein 0.0053 0.3958 0.3958
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1527 0.5837
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1478 0.5651
Leishmania major DNA damage repair protein, putative 0.0007 0.0216 0.1415
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1478 0.963
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.2587 0.2587
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0333 0.1273
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1527 0.5837
Schistosoma mansoni smad 0.0009 0.0333 0.0592
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1478 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0333 0.0592
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0216 0.0433
Schistosoma mansoni cpg binding protein 0.0037 0.2616 0.465
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1527 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.1527 1
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0216 0.0384
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0216 0.1415
Onchocerca volvulus 0.0035 0.2454 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.1527 0.5837
Schistosoma mansoni hypothetical protein 0.0017 0.0997 0.1772
Trichomonas vaginalis helicase, putative 0.0008 0.0267 0.1748
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0267 0.1748
Schistosoma mansoni hypothetical protein 0.0017 0.0997 0.1772
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1527 1
Loa Loa (eye worm) Smad1 0.0009 0.0333 0.0333
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0997 0.3811
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0216 0.1415
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1527 0.1527
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1527 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0329 0.0584
Echinococcus granulosus cpg binding protein 0.0037 0.2616 1
Leishmania major DNA polymerase eta, putative 0.0007 0.0216 0.1415
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0501 0.1916
Toxoplasma gondii exonuclease III APE 0.0023 0.1478 0.2966
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0216 0.0433
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0329 0.1257
Loa Loa (eye worm) hypothetical protein 0.0007 0.0216 0.0216
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0267 0.1748
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0216 0.1415
Leishmania major DNA polymerase kappa, putative 0.0023 0.1527 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0997 0.0997
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1527 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1478 0.9683
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0997 0.0997
Echinococcus multilocularis smad 0.0009 0.0333 0.1273
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0216 0.1415
Echinococcus granulosus Smad4 0.0009 0.0333 0.1273
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1527 0.5837
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0267 0.1748
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.3958 0.3958
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1478 0.1478
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1527 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.1527 0.2714
Loa Loa (eye worm) hypothetical protein 0.0005 0.0017 0.0017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.3958 0.3958
Trypanosoma brucei unspecified product 0.0023 0.1527 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.1527 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2454 0.2454
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1527 0.1527
Trypanosoma brucei unspecified product 0.0016 0.0937 0.6136
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0216 0.1415
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1527 1
Leishmania major DNA polymerase eta, putative 0.0023 0.1527 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.2454 0.2454
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1478 0.9683
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0501 0.0501
Echinococcus multilocularis Smad4 0.0009 0.0333 0.1273
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Echinococcus granulosus smad 0.0009 0.0333 0.1273
Brugia malayi Smad1 0.0009 0.0333 0.0333
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.1527 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0937 0.6136
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1527 1
Schistosoma mansoni hypothetical protein 0.0017 0.0997 0.1772
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0216 0.1415
Schistosoma mansoni smad1 5 8 and 0.0009 0.0333 0.0592
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1478 0.5651
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0329 0.1257
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1478 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0216 0.1415
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Giardia lamblia DNA damage repair protein 0.0007 0.0216 0.1415
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1527 1
Brugia malayi MH2 domain containing protein 0.0009 0.0333 0.0333
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0216 0.0433
Schistosoma mansoni cpg binding protein 0.0037 0.2616 0.465
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1478 0.9683
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0267 0.1748
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Schistosoma mansoni smad1 5 8 and 0.0009 0.0333 0.0592
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1527 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0997 0.0997
Loa Loa (eye worm) hypothetical protein 0.0017 0.0997 0.0997
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0333 0.1273
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1478 0.9683
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1478 0.9683
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0216 0.1415
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.049 0.049
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1527 0.2714
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1527 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0501 0.1916
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1478 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0997 0.3811
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1527 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0267 0.1748
Brugia malayi MH1 domain containing protein 0.0009 0.0333 0.0333
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0032 0.0056
Brugia malayi polk-prov protein 0.0007 0.0216 0.0216
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1478 0.9683
Echinococcus multilocularis cpg binding protein 0.0037 0.2616 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1527 0.2714
Schistosoma mansoni hypothetical protein 0.0017 0.0997 0.1772
Echinococcus granulosus GPCR family 2 0.0017 0.0997 0.3811
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0997 0.3811
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0329 0.1257
Echinococcus multilocularis GPCR, family 2 0.0017 0.0997 0.3811
Brugia malayi MH1 domain containing protein 0.0009 0.0333 0.0333
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0216 0.1461
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0333 0.1273
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0267 0.1748
Loa Loa (eye worm) hypothetical protein 0.0023 0.1527 0.1527
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1527 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.1478 0.9683
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.4984 1
Schistosoma mansoni hypothetical protein 0.0036 0.2587 0.4599
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1478 0.1478
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0216 0.1415
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0216 0.1461
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0333 0.0333
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0333 0.1273
Schistosoma mansoni Smad4 0.0009 0.0333 0.0592
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1478 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0224 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.